4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine

C13H20FN — CID 143049564

IUPAC4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine
SMILESC=C/C=C(\C=C)CC1CCC(NF)CC1
InChIInChI=1S/C13H20FN/c1-3-5-11(4-2)10-12-6-8-13(15-14)9-7-12/h3-5,12-13,15H,1-2,6-10H2/b11-5+
InChIKeyUKRMFLVJBDZCCY-VZUCSPMQSA-N
MW209.31 g/mol
LogP3.71
Rot. Bonds5

About 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine

4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine (PubChem CID 143049564) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine
PubChem CID143049564
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine
SMILESC=C/C=C(\C=C)CC1CCC(NF)CC1
InChIInChI=1S/C13H20FN/c1-3-5-11(4-2)10-12-6-8-13(15-14)9-7-12/h3-5,12-13,15H,1-2,6-10H2/b11-5+
InChIKeyUKRMFLVJBDZCCY-VZUCSPMQSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine?
The IUPAC name of 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine (CID 143049564) is 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine?
The canonical SMILES for 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine is C=C/C=C(\C=C)CC1CCC(NF)CC1.
What is the InChIKey of 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine?
The InChIKey is UKRMFLVJBDZCCY-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-5-11(4-2)10-12-6-8-13(15-14)9-7-12/h3-5,12-13,15H,1-2,6-10H2/b11-5+.
What are the key properties of 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine?
4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine is sourced from PubChem (CID 143049564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).